Vitas-M small molecule compound
dimethyl 2-{8-methoxy-2,2-dimethyl-1-[(2E)-3-(4-nitrophenyl)prop-2-enoyl]-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK136920
SMILES COC(=O)C1=C(S/C(=C\2/c3cccc(c3N(C(C2=S)(C)C)C(=O)/C=C/c2ccc(cc2)[N+](=O)[O-])OC)/S1)C(=O)OC
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C28H24N2O8S3 MW 612.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N2O8S3/c1-28(2)24(39)20(27-40-22(25(32)37-4)23(41-27)26(33)38-5)17-7-6-8-18(36-3)21(17)29(28)19(31)14-11-15-9-12-16(13-10-15)30(34)35/h6-14H,1-5H3/b14-11+InChIKey
ROJUIWIFEMRBAX-SDNWHVSQSA-NSynonyms
CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=C(N1C(=O)C=CC4=CC=C(C=C4)(N+)(=O)(O))C(=CC=C3)OC)C
COC(=O)C1=C(SC(=C2c3cccc(c3N(C(C2=S)(C)C)C(=O)C=Cc2ccc(cc2)(N+)(=O)(O))OC)S1)C(=O)OC
DIMETHYL2(8METHOXY22DIMETHYL1((2E)3(4NITROPHENYL)PROP2ENOYL)3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(8METHOXY22DIMETHYL1((E)3(4NITROPHENYL)PROP2ENOYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC28H24N2O8S3c128(2)24(39)20(274022(25(32)374)23(4127)26(33)385)1776818(363)21(17)29(28)19(31)14111591216(131015)30(34)35h614H15H3b1411+
MFCD01795967
ZINC000100278298
ZINC100278298
Check stock
See real-time availability and sample size for STK136920 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.